Ion transport and relaxation in phosphonium poly(ionic liquid) homo‐ and <scp>co‐polymers</scp>

Banerjee, P.; Pal, Pulak; Ghosh, A.; Mandal, Tarun K.

doi:10.1002/pol.20210223

Cited by 7 publications

(6 citation statements)

References 76 publications

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“…Also, the first peak in the conduction band is mainly due to Co-3d states followed by a second peak with a structure similar to the one that can be found in CuAlO 2 . and CuGaO 2 , as it has been previously reported [98,99,103].…”

Section: Discussionsupporting

confidence: 71%

“…O states show a wide dispersion through the band, but the presence of Co-3d states is high in this region and, except for the peak at the edge of the band, is comparable with the contribution from Cu states. Also, the first peak in the conduction band is mainly due to Co-3d states followed by a second peak with a structure similar to the one that can be found in CuAlO and CuGaO , as it has been previously reported [98,99,103].…”

Section: Theoretical Insightsupporting

confidence: 75%

“…Figure 14 shows the relationship between the relaxation time obtained from the cut-off frequency where the conductivity changes from a constant value in the Bode diagram (plateau) to increasing with frequency increase for all temperatures. In such circumstances, such as is observed here in the case of CuCoO 2 _H (see Figure 12 c) for all temperatures, according to the power low model, the real part of the conductivity σ′(ω,T) can be expressed in terms of dc-conductivity σ dc and the hopping diffusion rate of protons ω H ≈ 1/τ (in this case) as [ 94 ]

where n is an exponent with a value between 0 and 1 and is related to interactions between mobile ions (H + in our case) and the dimensionally of the conduction pathway [ 97 ]; for instance, this occurs in polymer electrolytes of P[VBTC][Cl] 80 -ran-PMMA 20 at different temperatures (303 K to 363 K) and P[VBTC][TFSIl] 80 -ran-PMMA 20 at (308 K to 378 K), respectively [ 98 ]. From the fit of the real part of the conductivity shown in the Bode diagrams in Figure 12 , we have obtained the values of sample relaxation time; these values are plotted in Figure 14 for each temperature.…”

Section: Dielectric Spectra Analysismentioning

confidence: 99%

“…The band structure and density of states for the tetragonal phase can be appreciated in Figure 16 . Though the inclusion of the hybrid functional allows the possibility of avoiding the typical underestimation of gaps in pure DFT approaches; the bandgap values obtained seems to remain underestimated: 2.31 eV for the tetragonal structure and 2.34 for the hexagonal one (experimental results are between 2.5 to 3.65 eV [ 77 , 98 , 103 ]). However, the structure of the bands and the form of the density of states of the curves are usually well described in this type of calculations, and despite the small difference in bandgap values for both structures, the form of the density of states is practically the same, so only one of them is plotted.…”

Section: Theoretical Insightmentioning

confidence: 99%

“…where n is an exponent with a value between 0 and 1 and is related to interactions between mobile ions (H + in our case) and the dimensionally of the conduction pathway [97]; for instance, this occurs in polymer electrolytes of P[VBTC][Cl] 80 -ran-PMMA 20 at different temperatures (303 K to 363 K) and P[VBTC][TFSIl] 80 -ran-PMMA 20 at (308 K to 378 K), respectively [98]. From the fit of the real part of the conductivity shown in the Bode diagrams in Figure 12, we have obtained the values of sample relaxation time; these values are plotted in Figure 14 for each temperature.…”

Section: Dielectric Spectra Analysismentioning

confidence: 99%

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The Structural and Electrochemical Properties of CuCoO2 Crystalline Nanopowders and Thin Films: Conductivity Experimental Analysis and Insights from Density Functional Theory Calculations

et al. 2023

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A novel manufacturing process is presented for producing nanopowders and thin films of CuCoO2 (CCO) material. This process utilizes three cost-effective synthesis methods: hydrothermal, sol-gel, and solid-state reactions. The resulting delafossite CuCoO2 samples were deposited onto transparent substrates through spray pyrolysis, forming innovative thin films with a nanocrystal powder structure. Prior to the transformation into thin films, CuCoO2 powder was first produced using a low-cost approach. The precursors for both powders and thin films were deposited onto glass surfaces using a spray pyrolysis process, and their characteristics were examined through X-ray diffraction, scanning electron microscopy, HR-TEM, UV-visible spectrophotometry, and electrochemical impedance spectroscopy (EIS) analyses were conducted to determine the conductivity in the transversal direction of this groundbreaking material for solar cell applications. On the other hand, the sheet resistance of the samples was investigated using the four-probe method to obtain the sheet resistivity and then calculate the in-plane conductivity of the samples. We also investigated the aging characteristics of different precursors with varying durations. The functional properties of CuCoO2 samples were explored by studying chelating agent and precursor solution aging periods using Density Functional Theory calculations (DFT). A complementary Density Functional Theory study was also performed in order to evaluate the electronic structure of this compound. Resuming, this study thoroughly discusses the synthesis of delafossite powders and their conversion into thin films, which hold potential as hole transport layers in transparent optoelectronic devices.

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Section: Discussionsupporting

confidence: 71%

Section: Theoretical Insightsupporting

confidence: 75%

Section: Dielectric Spectra Analysismentioning

confidence: 99%

Section: Theoretical Insightmentioning

confidence: 99%

Section: Dielectric Spectra Analysismentioning

confidence: 99%

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The Structural and Electrochemical Properties of CuCoO2 Crystalline Nanopowders and Thin Films: Conductivity Experimental Analysis and Insights from Density Functional Theory Calculations

et al. 2023

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Transport properties of CdI2-doped silver ion conducting system: validation with first-principle DFT estimations

Poddar

Das

Roy

et al. 2022

Ionics

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Mixed conduction in iodovanadate glass-nanocomposites: DC conductivity, hopping frequency, and frequency response curves

Poddar,

Roy,

Ali

et al. 2024

Ionics

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Here, the system of amorphous semiconducting glassy system, xAgI -(1-x) (0.1CdO -0.3 V2O5 -0.4 P2O5 -0.2ZnO) with x = 0, 0.05, 0.1, 0.2, 0.3, 0.4has been developed. The gradual change in the size of various nanocrystallites such as VO2 , Zn2V2O7, V6O13, ZnV3O8 and P and the development of new phases of their combinations have been pronounced due to a gradual increase in AgI content. This may lead to the possible structural changes of the system under investigation. V-O-V vibration at lower energy may be responsible for weakening the covalent bond, which may be responsible for releasing vanadium ion to contribute more electron/ polaron. Correlated barrier hopping (CBH) model has been found to appropriate to predict the hopping conduction paths of charge carriers (or polarons) in pairs via current transfer between localized sites at the Fermi level. By incorporation of more and more AgI content in the composition, more bridging oxygen is expected to be formed in the composition and a strong covalent bonding between Ag + and O -2 may play dominating role for Ag + transport over polaron hopping. Double activation energy corresponding to DC conductivity in a wide range of temperature may be considered as the signature of mixed conduction process in the present system.Estimated values of frequency exponent (n) may be highlighted to validate this mixed conduction process. Percolation type of motion of polaron may be predicted from the higher values of n for the as-prepared samples with higher 2 AgIcontent. Similarly, three dimensional Ag + motion may be the dominating charge carriers for the samples with higher AgI content as evident from the moderate values of n.A schematic conduction model has been proposed to explain the nature of electrical conductivity in the present system.

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Ion transport and relaxation in phosphonium poly(ionic liquid) homo‐ and co‐polymers

Cited by 7 publications

References 76 publications

The Structural and Electrochemical Properties of CuCoO2 Crystalline Nanopowders and Thin Films: Conductivity Experimental Analysis and Insights from Density Functional Theory Calculations

The Structural and Electrochemical Properties of CuCoO2 Crystalline Nanopowders and Thin Films: Conductivity Experimental Analysis and Insights from Density Functional Theory Calculations

Transport properties of CdI2-doped silver ion conducting system: validation with first-principle DFT estimations

Mixed conduction in iodovanadate glass-nanocomposites: DC conductivity, hopping frequency, and frequency response curves

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